4,4-difluoro-1,2,2-trimethylpyrrolidine

C7H13F2N — CID 21025962

IUPAC4,4-difluoro-1,2,2-trimethylpyrrolidine
SMILESCN1CC(F)(F)CC1(C)C
InChIInChI=1S/C7H13F2N/c1-6(2)4-7(8,9)5-10(6)3/h4-5H2,1-3H3
InChIKeyJBDFNGDBNZHIFS-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.74
Rot. Bonds

About 4,4-difluoro-1,2,2-trimethylpyrrolidine

4,4-difluoro-1,2,2-trimethylpyrrolidine (PubChem CID 21025962) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 4,4-difluoro-1,2,2-trimethylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1,2,2-trimethylpyrrolidine
PubChem CID21025962
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name4,4-difluoro-1,2,2-trimethylpyrrolidine
SMILESCN1CC(F)(F)CC1(C)C
InChIInChI=1S/C7H13F2N/c1-6(2)4-7(8,9)5-10(6)3/h4-5H2,1-3H3
InChIKeyJBDFNGDBNZHIFS-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2,2-trimethylpyrrolidine?
The IUPAC name of 4,4-difluoro-1,2,2-trimethylpyrrolidine (CID 21025962) is 4,4-difluoro-1,2,2-trimethylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-1,2,2-trimethylpyrrolidine?
The canonical SMILES for 4,4-difluoro-1,2,2-trimethylpyrrolidine is CN1CC(F)(F)CC1(C)C.
What is the InChIKey of 4,4-difluoro-1,2,2-trimethylpyrrolidine?
The InChIKey is JBDFNGDBNZHIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-6(2)4-7(8,9)5-10(6)3/h4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-1,2,2-trimethylpyrrolidine?
4,4-difluoro-1,2,2-trimethylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,2,2-trimethylpyrrolidine is sourced from PubChem (CID 21025962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).